(3-amino-5-fluoro-2,4-dihydroxyphenyl)-(4-methylphenyl)methanone

C14H12FNO3 — CID 88742758

IUPAC(3-amino-5-fluoro-2,4-dihydroxyphenyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(F)c(O)c(N)c2O)cc1
InChIInChI=1S/C14H12FNO3/c1-7-2-4-8(5-3-7)12(17)9-6-10(15)14(19)11(16)13(9)18/h2-6,18-19H,16H2,1H3
InChIKeyKRUWOKCLFONBDX-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.36
Rot. Bonds2

About (3-amino-5-fluoro-2,4-dihydroxyphenyl)-(4-methylphenyl)methanone

(3-amino-5-fluoro-2,4-dihydroxyphenyl)-(4-methylphenyl)methanone (PubChem CID 88742758) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is (3-amino-5-fluoro-2,4-dihydroxyphenyl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-fluoro-2,4-dihydroxyphenyl)-(4-methylphenyl)methanone
PubChem CID88742758
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name(3-amino-5-fluoro-2,4-dihydroxyphenyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(F)c(O)c(N)c2O)cc1
InChIInChI=1S/C14H12FNO3/c1-7-2-4-8(5-3-7)12(17)9-6-10(15)14(19)11(16)13(9)18/h2-6,18-19H,16H2,1H3
InChIKeyKRUWOKCLFONBDX-UHFFFAOYSA-N
XLogP2.36
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxy-3,5-dimethylphenyl)-(4-methylphenyl)methanone
CID 13251027
(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
CID 13408102
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
(2-amino-3-methylphenyl)-(4-methylphenyl)methanone
CID 22285788
(3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone
CID 88743414
(5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone
CID 102584470
(3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone
CID 13192784
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
[2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 3101530
(3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone
CID 129087324
3-amino-4,5-difluoro-2-hydroxybenzoic acid
CID 83817838
methyl 4-(3-amino-5-fluoro-2-hydroxybenzoyl)benzoate
CID 70556532

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-fluoro-2,4-dihydroxyphenyl)-(4-methylphenyl)methanone?
The IUPAC name of (3-amino-5-fluoro-2,4-dihydroxyphenyl)-(4-methylphenyl)methanone (CID 88742758) is (3-amino-5-fluoro-2,4-dihydroxyphenyl)-(4-methylphenyl)methanone.
What is the SMILES notation for (3-amino-5-fluoro-2,4-dihydroxyphenyl)-(4-methylphenyl)methanone?
The canonical SMILES for (3-amino-5-fluoro-2,4-dihydroxyphenyl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc(F)c(O)c(N)c2O)cc1.
What is the InChIKey of (3-amino-5-fluoro-2,4-dihydroxyphenyl)-(4-methylphenyl)methanone?
The InChIKey is KRUWOKCLFONBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-7-2-4-8(5-3-7)12(17)9-6-10(15)14(19)11(16)13(9)18/h2-6,18-19H,16H2,1H3.
What are the key properties of (3-amino-5-fluoro-2,4-dihydroxyphenyl)-(4-methylphenyl)methanone?
(3-amino-5-fluoro-2,4-dihydroxyphenyl)-(4-methylphenyl)methanone has a molecular weight of 261.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-fluoro-2,4-dihydroxyphenyl)-(4-methylphenyl)methanone is sourced from PubChem (CID 88742758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).